4-(4-naphthalen-1-ylbenzenecarboximidoyl)thiophen-3-amine

C21H16N2S — CID 144816380

IUPAC4-(4-naphthalen-1-ylbenzenecarboximidoyl)thiophen-3-amine
SMILES[H]/N=C(/c1ccc(-c2cccc3ccccc23)cc1)c1cscc1N
InChIInChI=1S/C21H16N2S/c22-20-13-24-12-19(20)21(23)16-10-8-15(9-11-16)18-7-3-5-14-4-1-2-6-17(14)18/h1-13,23H,22H2/b23-21-
InChIKeyORRPHKQFEDKSGN-LNVKXUELSA-N
MW328.44 g/mol
LogP5.57
Rot. Bonds3

About 4-(4-naphthalen-1-ylbenzenecarboximidoyl)thiophen-3-amine

4-(4-naphthalen-1-ylbenzenecarboximidoyl)thiophen-3-amine (PubChem CID 144816380) has the molecular formula C21H16N2S and a molecular weight of 328.44 g/mol. Its IUPAC name is 4-(4-naphthalen-1-ylbenzenecarboximidoyl)thiophen-3-amine.

Molecular Properties

Compound Name4-(4-naphthalen-1-ylbenzenecarboximidoyl)thiophen-3-amine
PubChem CID144816380
Molecular FormulaC21H16N2S
Molecular Weight328.44 g/mol
Exact Mass328.10
IUPAC Name4-(4-naphthalen-1-ylbenzenecarboximidoyl)thiophen-3-amine
SMILES[H]/N=C(/c1ccc(-c2cccc3ccccc23)cc1)c1cscc1N
InChIInChI=1S/C21H16N2S/c22-20-13-24-12-19(20)21(23)16-10-8-15(9-11-16)18-7-3-5-14-4-1-2-6-17(14)18/h1-13,23H,22H2/b23-21-
InChIKeyORRPHKQFEDKSGN-LNVKXUELSA-N
XLogP5.57
TPSA49.87 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.44
LogP ≤ 55.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

1,2-bis(4-naphthalen-1-ylphenyl)ethane-1,2-diimine
CID 129256978
4-naphthalen-1-ylbenzoic acid
CID 2760151
(3Z,5Z)-hepta-1,3,5-triene;methanamine;2-(4-phenylbenzenecarboximidoyl)naphthalen-1-amine;2-[2-(4-phenylphenyl)phenyl]aniline
CID 144780245
(4-methylphenyl)-[2-(4-phenylphenyl)phenyl]methanimine
CID 135008766
N-[anilino-(4-naphthalen-1-ylphenyl)methylidene]-4-naphthalen-1-ylbenzenecarboximidamide
CID 143316965
9-(4-naphthalen-1-ylphenyl)-10-[4-[10-(4-naphthalen-1-ylphenyl)anthracen-9-yl]phenyl]anthracene
CID 59557524
2-fluoro-4-naphthalen-1-ylaniline
CID 54912687
3-(4-naphthalen-1-ylphenyl)aniline
CID 154675291
1-[4-(3,3,3-trifluoroprop-1-en-2-yl)phenyl]naphthalene
CID 102364058
2-(naphthalene-1-carboximidoyl)naphthalen-1-amine
CID 144780579
1-[4-[3-(4-naphthalen-1-ylphenyl)phenyl]phenyl]naphthalene
CID 10983707
(E)-cyclohexa-2,4-dien-1-ylidene-(4-naphthalen-1-ylphenyl)methanamine;ethanamine
CID 142324458

Frequently Asked Questions

What is the IUPAC name of 4-(4-naphthalen-1-ylbenzenecarboximidoyl)thiophen-3-amine?
The IUPAC name of 4-(4-naphthalen-1-ylbenzenecarboximidoyl)thiophen-3-amine (CID 144816380) is 4-(4-naphthalen-1-ylbenzenecarboximidoyl)thiophen-3-amine.
What is the SMILES notation for 4-(4-naphthalen-1-ylbenzenecarboximidoyl)thiophen-3-amine?
The canonical SMILES for 4-(4-naphthalen-1-ylbenzenecarboximidoyl)thiophen-3-amine is [H]/N=C(/c1ccc(-c2cccc3ccccc23)cc1)c1cscc1N.
What is the InChIKey of 4-(4-naphthalen-1-ylbenzenecarboximidoyl)thiophen-3-amine?
The InChIKey is ORRPHKQFEDKSGN-LNVKXUELSA-N. The full InChI is InChI=1S/C21H16N2S/c22-20-13-24-12-19(20)21(23)16-10-8-15(9-11-16)18-7-3-5-14-4-1-2-6-17(14)18/h1-13,23H,22H2/b23-21-.
What are the key properties of 4-(4-naphthalen-1-ylbenzenecarboximidoyl)thiophen-3-amine?
4-(4-naphthalen-1-ylbenzenecarboximidoyl)thiophen-3-amine has a molecular weight of 328.44 g/mol, XLogP of 5.57, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-naphthalen-1-ylbenzenecarboximidoyl)thiophen-3-amine is sourced from PubChem (CID 144816380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).